3-[[1-(2-methoxycyclohexyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[1-(2-methoxycyclohexyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[1-(2-methoxycyclohexyl)tetrazol-5-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[1-(2-methoxycyclohexyl)-5-tetrazolyl]methylthio]propanoic acid IUPAC Name: 3-[[1-(2-methoxycyclohexyl)tetrazol-5-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[1-(2-methoxycyclohexyl)tetrazol-5-yl]methylthio]propionic acid Formula: C12H20N4O3S MolecularWeight: 300.3772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC1N2C(=NN=N2)CSCCC(=O)O

Isomeric SMILES

COC1CCCCC1N2C(=NN=N2)CSCCC(=O)O

InChI

InChI=1S/C12H20N4O3S/c1-19-10-5-3-2-4-9(10)16-11(13-14-15-16)8-20-7-6-12(17)18/h9-10H,2-8H2,1H3,(H,17,18)